3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]pyridin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]pyridin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]-3-pyridyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidinyl]-3-pyridinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]pyridin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]-3-pyridyl]methanone Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)CC5=CC=CN5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)CC5=CC=CN5

InChI

InChI=1S/C26H30N4O/c1-19-8-9-24(26(31)30-16-12-20-5-2-3-6-22(20)17-30)25(28-19)21-10-14-29(15-11-21)18-23-7-4-13-27-23/h2-9,13,21,27H,10-12,14-18H2,1H3